4-bromo-2,6-bis(trifluoromethyl)pyridine

• ChemBase ID: 814113
• Molecular Formular: C7H2BrF6N
• Molecular Mass: 293.9918992
• Monoisotopic Mass: 292.92748039
• SMILES: n1c(cc(cc1C(F)(F)F)Br)C(F)(F)F
• Canonical SMILES: Brc1cc(nc(c1)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C7H2BrF6N/c8-3-1-4(6(9,10)11)15-5(2-3)7(12,13)14/h1-2H
• InChIKey: UZOZLEVNCJCYLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,6-bis(trifluoromethyl)pyridine
• IUPAC Traditional name: 4-bromo-2,6-bis(trifluoromethyl)pyridine
• Synonyms: 4-bromo-2,6-bis(trifluoromethyl)pyridine

Database IDs

• CAS Number: 134914-92-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0517235
• LogD (pH = 7.4): 4.0517235
• Log P: 4.0517235
• Molar Refractivity: 42.7273 cm^3
• Polarizability: 15.812074 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%